Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. This title explains the physics behind the 'recipes' of molecular simulation for materials science.
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'Understanding Molecular Simulation - Frenkel, Daan (FOM Institute for Atomic and Molecular Physics, Smit, Berend (Professor at the Department of Chemical Engineering of the Faculty of Science'.
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